4-[[2-(oxolan-3-yl)ethylamino]methyl]pyrrolidin-3-ol

C11H22N2O2 — CID 120962917

IUPAC4-[[2-(oxolan-3-yl)ethylamino]methyl]pyrrolidin-3-ol
SMILESOC1CNCC1CNCCC1CCOC1
InChIInChI=1S/C11H22N2O2/c14-11-7-13-6-10(11)5-12-3-1-9-2-4-15-8-9/h9-14H,1-8H2
InChIKeyJAXXQGJEWKZFDH-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.42
Rot. Bonds5

About 4-[[2-(oxolan-3-yl)ethylamino]methyl]pyrrolidin-3-ol

4-[[2-(oxolan-3-yl)ethylamino]methyl]pyrrolidin-3-ol (PubChem CID 120962917) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[[2-(oxolan-3-yl)ethylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[[2-(oxolan-3-yl)ethylamino]methyl]pyrrolidin-3-ol
PubChem CID120962917
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-[[2-(oxolan-3-yl)ethylamino]methyl]pyrrolidin-3-ol
SMILESOC1CNCC1CNCCC1CCOC1
InChIInChI=1S/C11H22N2O2/c14-11-7-13-6-10(11)5-12-3-1-9-2-4-15-8-9/h9-14H,1-8H2
InChIKeyJAXXQGJEWKZFDH-UHFFFAOYSA-N
XLogP-0.42
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine
CID 102671743
3-[2-(oxolan-3-yl)ethyl]piperidin-4-ol
CID 130803009
3,3,3-trifluoro-N-[2-(oxolan-3-yl)ethyl]propan-1-amine
CID 102672424
2-cyclopentyl-N-(oxan-3-ylmethyl)ethanamine
CID 63741099
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
N-[(3,4-dibromophenyl)methyl]-2-(oxolan-3-yl)ethanamine
CID 113415247
N-(oxolan-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 63006355
(3R,4R)-4-[methyl(oxolan-3-ylmethyl)amino]pyrrolidin-3-ol
CID 122236959
N-(oxolan-3-ylmethyl)-1-piperidin-4-ylmethanamine
CID 62825418
3-cyclopentyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115887250
2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol
CID 79360440
3-[[2-(oxan-4-yl)ethylamino]methyl]cyclobutan-1-amine
CID 115214330

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(oxolan-3-yl)ethylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[2-(oxolan-3-yl)ethylamino]methyl]pyrrolidin-3-ol (CID 120962917) is 4-[[2-(oxolan-3-yl)ethylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[2-(oxolan-3-yl)ethylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[2-(oxolan-3-yl)ethylamino]methyl]pyrrolidin-3-ol is OC1CNCC1CNCCC1CCOC1.
What is the InChIKey of 4-[[2-(oxolan-3-yl)ethylamino]methyl]pyrrolidin-3-ol?
The InChIKey is JAXXQGJEWKZFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c14-11-7-13-6-10(11)5-12-3-1-9-2-4-15-8-9/h9-14H,1-8H2.
What are the key properties of 4-[[2-(oxolan-3-yl)ethylamino]methyl]pyrrolidin-3-ol?
4-[[2-(oxolan-3-yl)ethylamino]methyl]pyrrolidin-3-ol has a molecular weight of 214.31 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(oxolan-3-yl)ethylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 120962917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).